CID 16077434

4-isopropyl-n'-methyl-5-phenylsulfanyl-1-(4-pyridylmethyl)pyrrole-3-carbohydrazide

Structural Information

Molecular Formula
C21H24N4OS
SMILES
CC(C)C1=C(N(C=C1C(=O)NNC)CC2=CC=NC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C21H24N4OS/c1-15(2)19-18(20(26)24-22-3)14-25(13-16-9-11-23-12-10-16)21(19)27-17-7-5-4-6-8-17/h4-12,14-15,22H,13H2,1-3H3,(H,24,26)
InChIKey
ZVHBIIDHHLPDGC-UHFFFAOYSA-N
Compound name
N'-methyl-5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.16708 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17436 191.3
[M+Na]+ 403.15630 197.2
[M-H]- 379.15980 198.7
[M+NH4]+ 398.20090 202.1
[M+K]+ 419.13024 191.0
[M+H-H2O]+ 363.16434 181.4
[M+HCOO]- 425.16528 208.4
[M+CH3COO]- 439.18093 223.1
[M+Na-2H]- 401.14175 190.1
[M]+ 380.16653 193.7
[M]- 380.16763 193.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.